SCHEMBL21247580

SCHEMBL21247580

CSc1cc(Cl)cc(C)c1NC(=O)c1cc(OCC(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 6/20 0.35
EPHX2 P34913 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
DHODH Q02127 2/20 0.33
P2RX7 Q99572 4/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21247672 0.91 KMT2A (0.39) MALT1TRPV1L3MBTL1
SCHEMBL12574960 0.89 DHODH (0.35) MALT1EPHX2TRPV1DHODH
SCHEMBL782139 0.88 DHODH (0.33) MALT1EPHX2TRPV1DHODH
SCHEMBL31060020 0.88 SLC2A1 (0.36) MALT1EPHX2TRPV1DHODH
SCHEMBL782239 0.88 EPHX2 (0.35) MALT1EPHX2TRPV1DHODH
SCHEMBL21247651 0.87 PDE4B (0.39) MALT1TRPV1MAPTL3MBTL1
SCHEMBL21257424 0.87 MALT1 (0.35) MALT1EPHX2TRPV1DHODHP2RX7
SCHEMBL21257614 0.86 MALT1 (0.33) MALT1EPHX2TRPV1DHODHP2RX7
SCHEMBL28498417 0.86 DGAT2 (0.32) MALT1DHODH
SCHEMBL21247661 0.84 MALT1 (0.39) MALT1TRPV1DHODHIRAK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019156425-A1 PYRAZOLE CARBOXAMIDE COMPOUND CONTAINING ORGANOSULFUR GROUP AND PESTICIDE COMPOSITION CONTAINING PYRAZOLE CARBOXAMIDE COMPOUND 한국화학연구원 2019-08-15 WO claimed
WO-2019156425-A1 PYRAZOLE CARBOXAMIDE COMPOUND CONTAINING ORGANOSULFUR GROUP AND PESTICIDE COMPOSITION CONTAINING PYRAZOLE CARBOXAMIDE COMPOUND 한국화학연구원 2019-08-15 WO disclosed
WO-2019156425-A1 PYRAZOLE CARBOXAMIDE COMPOUND CONTAINING ORGANOSULFUR GROUP AND PESTICIDE COMPOSITION CONTAINING PYRAZOLE CARBOXAMIDE COMPOUND 한국화학연구원 2019-08-15 WO disclosed